6TVG

Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-04
Detector	RAYONIX MX-225
Wavelength(s)	0.89429
Spacegroup name	P 21 21 2
Unit cell lengths	67.259, 131.268, 66.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 1.480
R-factor	0.1298
Rwork	0.128
R-free	0.16740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4h2g
RMSD bond length	0.007
RMSD bond angle	0.986
Data reduction software	XDS (2016)
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.190	1.530
High resolution limit [Å]	1.477	1.477
Rmeas	0.116	0.993
Number of reflections	98145	4759
<I/σ(I)>	12	1.7
Completeness [%]	99.4
Redundancy	4.96
CC(1/2)	0.997	0.554

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100 mM Tris pH 7.8, 10 % PEG6000, 30 mM AMPCP, 10 % DMSO, 10 % glycerol